Chemical Properties of pimaricin

pimaricin

InChI
InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)
InChI Key
NCXMLFZGDNKEPB-UHFFFAOYSA-N
Formula
C33H47NO13
SMILES
CC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O
Molecular Weight1
665.73
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Physical Properties

Property Value Unit Source
ΔfusH° 107.56 kJ/mol Joback Calculated Property
log10WS -3.21 Aq. Solubility Prediction
logPoct/wat 0.120 Crippen Calculated Property
McVol 488.580 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [680.60; 1819.06] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.41780e+02
Coefficient B3.45304e+00
Coefficient C-1.65990e-03
Coefficient D1.67700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 680.60 J/mol×K 273.00 Calculated Property
Cp,gas 879.50 J/mol×K 353.78 Calculated Property
Cp,gas 1059.07 J/mol×K 434.56 Calculated Property
Cp,gas 1219.82 J/mol×K 515.33 Calculated Property
Cp,gas 1362.30 J/mol×K 596.11 Calculated Property
Cp,gas 1487.02 J/mol×K 676.89 Calculated Property
Cp,gas 1594.53 J/mol×K 757.67 Calculated Property
Cp,gas 1685.36 J/mol×K 838.44 Calculated Property
Cp,gas 1760.02 J/mol×K 919.22 Calculated Property
Cp,gas 1819.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. Ergocristine. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. Benzylmorphine. Guanosine, N-trimethylsilyl-, 2',3',5'-tris(trimethylsilyl) ether. CODEIN-PROPIONYL. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Nicocodine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. Neopine. Ajmaline. Methysergide. Deserpidine.

Find more compounds similar to pimaricin.

Sources

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